MMsINC Database Search


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MMsINC code: MMs02957108

Type: Neutral
Formula: C₂₃H₂₀Cl₃NO₂

SMILES:

ClC(Cl)(Cl)C(NC(Oc1ccc(cc1C)-c1ccc(cc1)C)=O)c1ccccc1

InChI:

InChI=1/C23H20Cl3NO2/c1-15-8-10-17(11-9-15)19-12-13-20(16(2)14-19)29-22(28)27-21(23(24,25)26)18-6-4-3-5-7-18/h3-14,21H,1-2H3,(H,27,28)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.406 kcal/mol

Physical Properties
Molecular Weight: 448.777 g/mol	logS: -8.80869	SlogP: 7.68574	Reactive groups: 0

Topological Properties
Globularity: 0.0374799	Sterimol/B1: 4.01491	Sterimol/B2: 4.29977	Sterimol/B3: 4.67091
Sterimol/B4: 5.04642	Sterimol/L: 21.1693

Surface and Volume Properties
Accessible surface: 698.464	Positive charged surface: 305.336	Negative charged surface: 382.507	Volume: 402
Hydrophobic surface: 536.504	Hydrophilic surface: 161.96

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.