MMsINC Database Search


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MMsINC code: MMs02859400

Type: Neutral
Formula: C₁₉H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)Cc1c2cc(OC)c(OC)cc2cnc1C

InChI:

InChI=1/C19H18ClNO2/c1-12-16(8-13-4-6-15(20)7-5-13)17-10-19(23-3)18(22-2)9-14(17)11-21-12/h4-7,9-11H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.662 kcal/mol

Physical Properties
Molecular Weight: 327.811 g/mol	logS: -4.95599	SlogP: 4.80459	Reactive groups: 0

Topological Properties
Globularity: 0.140946	Sterimol/B1: 2.56946	Sterimol/B2: 3.00385	Sterimol/B3: 5.69146
Sterimol/B4: 8.56376	Sterimol/L: 14.8869

Surface and Volume Properties
Accessible surface: 544.517	Positive charged surface: 347.771	Negative charged surface: 188.135	Volume: 310.375
Hydrophobic surface: 515.439	Hydrophilic surface: 29.078

Pharmacophoric Properties
Hydrogen bond donors: 0	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.