MMsINC Database Search


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MMsINC code: MMs01670640

Type: Neutral
Formula: C₁₄H₈Cl₂N₂O₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1oc2c(n1)cc(Cl)cc2

InChI:

InChI=1/C14H8Cl2N2O2/c15-9-3-1-2-8(6-9)13(19)18-14-17-11-7-10(16)4-5-12(11)20-14/h1-7H,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8335 kcal/mol

Physical Properties
Molecular Weight: 307.136 g/mol	logS: -6.0552	SlogP: 4.3869	Reactive groups: 0

Topological Properties
Globularity: 1.11907e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.0987	Sterimol/B3: 2.81208
Sterimol/B4: 6.02799	Sterimol/L: 17.1197

Surface and Volume Properties
Accessible surface: 501.609	Positive charged surface: 199.564	Negative charged surface: 302.045	Volume: 253.75
Hydrophobic surface: 411.247	Hydrophilic surface: 90.362

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.