MMsINC Database Search


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MMsINC code: MMs00618348

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₃

SMILES:

Clc1cc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)ccc1Cl

InChI:

InChI=1/C16H10Cl2N2O3/c17-12-6-5-9(7-13(12)18)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4282 kcal/mol

Physical Properties
Molecular Weight: 349.173 g/mol	logS: -5.39974	SlogP: 3.2281	Reactive groups: 0

Topological Properties
Globularity: 0.0787694	Sterimol/B1: 2.99033	Sterimol/B2: 3.78488	Sterimol/B3: 4.87504
Sterimol/B4: 5.29887	Sterimol/L: 16.8452

Surface and Volume Properties
Accessible surface: 557.377	Positive charged surface: 240.943	Negative charged surface: 316.435	Volume: 286.5
Hydrophobic surface: 436.847	Hydrophilic surface: 120.53

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.