MMsINC Database Search


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MMsINC code: MMs00823455

Type: Neutral
Formula: C₂₀H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C1(O)N(C(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C20H14ClNO2/c21-15-12-10-14(11-13-15)20(24)18-9-5-4-8-17(18)19(23)22(20)16-6-2-1-3-7-16/h1-13,24H/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4721 kcal/mol

Physical Properties
Molecular Weight: 335.79 g/mol	logS: -5.72689	SlogP: 4.5053	Reactive groups: 0

Topological Properties
Globularity: 0.177071	Sterimol/B1: 3.57857	Sterimol/B2: 3.64567	Sterimol/B3: 4.74669
Sterimol/B4: 8.38174	Sterimol/L: 13.8324

Surface and Volume Properties
Accessible surface: 536.076	Positive charged surface: 242.681	Negative charged surface: 293.396	Volume: 306.375
Hydrophobic surface: 478.402	Hydrophilic surface: 57.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.