MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02673567

Type: Neutral
Formula: C₁₅H₁₅ClN₂O

SMILES:

Clc1cc(NC(=O)N(Cc2ccccc2)C)ccc1

InChI:

InChI=1/C15H15ClN2O/c1-18(11-12-6-3-2-4-7-12)15(19)17-14-9-5-8-13(16)10-14/h2-10H,11H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8056 kcal/mol

Physical Properties
Molecular Weight: 274.751 g/mol	logS: -3.82439	SlogP: 4.2703	Reactive groups: 0

Topological Properties
Globularity: 0.123956	Sterimol/B1: 2.29759	Sterimol/B2: 3.70974	Sterimol/B3: 4.42402
Sterimol/B4: 7.35052	Sterimol/L: 14.4681

Surface and Volume Properties
Accessible surface: 505.09	Positive charged surface: 281.992	Negative charged surface: 223.097	Volume: 266.5
Hydrophobic surface: 470.468	Hydrophilic surface: 34.622

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.