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MMsINC code: MMs02568396

Type: Neutral
Formula: C₂₄H₂₀ClNO

SMILES:

Clc1ccccc1C=1Oc2c(cc(cc2)C)/C(=N\CCc2ccccc2)/C=1

InChI:

InChI=1/C24H20ClNO/c1-17-11-12-23-20(15-17)22(26-14-13-18-7-3-2-4-8-18)16-24(27-23)19-9-5-6-10-21(19)25/h2-12,15-16H,13-14H2,1H3/b26-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.494 kcal/mol

Physical Properties
Molecular Weight: 373.883 g/mol	logS: -7.68084	SlogP: 6.11369	Reactive groups: 0

Topological Properties
Globularity: 0.0540768	Sterimol/B1: 2.17884	Sterimol/B2: 3.48576	Sterimol/B3: 4.24276
Sterimol/B4: 11.9038	Sterimol/L: 16.5086

Surface and Volume Properties
Accessible surface: 666.139	Positive charged surface: 366.134	Negative charged surface: 300.005	Volume: 368.25
Hydrophobic surface: 654.289	Hydrophilic surface: 11.85

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.