MMsINC Database Search


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MMsINC code: MMs01045256

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)Cc2noc3c2cc(cc3)C)c(OC)cc1

InChI:

InChI=1/C17H15ClN2O3/c1-10-3-5-15-12(7-10)13(20-23-15)9-17(21)19-14-8-11(18)4-6-16(14)22-2/h3-8H,9H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1745 kcal/mol

Physical Properties
Molecular Weight: 330.771 g/mol	logS: -5.32088	SlogP: 3.97939	Reactive groups: 0

Topological Properties
Globularity: 0.120111	Sterimol/B1: 2.13435	Sterimol/B2: 3.81277	Sterimol/B3: 5.36191
Sterimol/B4: 7.74228	Sterimol/L: 14.6762

Surface and Volume Properties
Accessible surface: 576.061	Positive charged surface: 323.139	Negative charged surface: 249.255	Volume: 297.25
Hydrophobic surface: 510.099	Hydrophilic surface: 65.962

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.