MMsINC Database Search


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MMsINC code: MMs00915738

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1cc2c(NC(=O)CN(C(=O)c3ccccc3C)C2c2ccccc2)cc1

InChI:

InChI=1/C23H19ClN2O2/c1-15-7-5-6-10-18(15)23(28)26-14-21(27)25-20-12-11-17(24)13-19(20)22(26)16-8-3-2-4-9-16/h2-13,22H,14H2,1H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.162 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -6.51996	SlogP: 4.92782	Reactive groups: 0

Topological Properties
Globularity: 0.25746	Sterimol/B1: 3.69474	Sterimol/B2: 4.4988	Sterimol/B3: 6.37678
Sterimol/B4: 6.6951	Sterimol/L: 14.6286

Surface and Volume Properties
Accessible surface: 609.671	Positive charged surface: 296.115	Negative charged surface: 313.556	Volume: 359.25
Hydrophobic surface: 533.441	Hydrophilic surface: 76.23

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.