MMsINC Database Search


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MMsINC code: MMs00124816

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₂

SMILES:

Clc1cc(NC(=O)N(O)c2cc(ccc2)C)ccc1

InChI:

InChI=1/C14H13ClN2O2/c1-10-4-2-7-13(8-10)17(19)14(18)16-12-6-3-5-11(15)9-12/h2-9,19H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7225 kcal/mol

Physical Properties
Molecular Weight: 276.723 g/mol	logS: -4.26365	SlogP: 4.07612	Reactive groups: 0

Topological Properties
Globularity: 0.0728597	Sterimol/B1: 2.55735	Sterimol/B2: 2.80889	Sterimol/B3: 4.92614
Sterimol/B4: 6.12065	Sterimol/L: 15.1216

Surface and Volume Properties
Accessible surface: 507.125	Positive charged surface: 248.967	Negative charged surface: 258.158	Volume: 252.25
Hydrophobic surface: 431.996	Hydrophilic surface: 75.129

Pharmacophoric Properties
Hydrogen bond donors: 2	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.