MMsINC Database Search


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MMsINC code: MMs02003401

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₂

SMILES:

Clc1cc(NC(=O)C(=O)NCc2ccc(cc2)C)ccc1

InChI:

InChI=1/C16H15ClN2O2/c1-11-5-7-12(8-6-11)10-18-15(20)16(21)19-14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3703 kcal/mol

Physical Properties
Molecular Weight: 302.761 g/mol	logS: -4.73565	SlogP: 3.16972	Reactive groups: 0

Topological Properties
Globularity: 0.0425469	Sterimol/B1: 3.19676	Sterimol/B2: 4.2125	Sterimol/B3: 4.22862
Sterimol/B4: 5.66493	Sterimol/L: 17.7979

Surface and Volume Properties
Accessible surface: 565.779	Positive charged surface: 295.092	Negative charged surface: 270.687	Volume: 281.25
Hydrophobic surface: 463.399	Hydrophilic surface: 102.38

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.