MMsINC Database Search


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MMsINC code: MMs03906296

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₃

SMILES:

Clc1ccc(cc1)C1(NC(=O)N(CCOc2ccc(Cl)cc2)C1=O)C

InChI:

InChI=1/C18H16Cl2N2O3/c1-18(12-2-4-13(19)5-3-12)16(23)22(17(24)21-18)10-11-25-15-8-6-14(20)7-9-15/h2-9H,10-11H2,1H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1873 kcal/mol

Physical Properties
Molecular Weight: 379.243 g/mol	logS: -5.4429	SlogP: 4.1509	Reactive groups: 0

Topological Properties
Globularity: 0.0773605	Sterimol/B1: 2.23753	Sterimol/B2: 2.93659	Sterimol/B3: 5.07412
Sterimol/B4: 5.81544	Sterimol/L: 19.6672

Surface and Volume Properties
Accessible surface: 603.258	Positive charged surface: 275.69	Negative charged surface: 327.568	Volume: 326.5
Hydrophobic surface: 514.482	Hydrophilic surface: 88.776

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.