MMsINC Database Search


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MMsINC code: MMs00756035

Type: Neutral
Formula: C₂₇H₂₃NO

SMILES:

O1c2c(cccc2)C(c2c1cccc2)(c1cc(N(C)C)ccc1)c1ccccc1

InChI:

InChI=1/C27H23NO/c1-28(2)22-14-10-13-21(19-22)27(20-11-4-3-5-12-20)23-15-6-8-17-25(23)29-26-18-9-7-16-24(26)27/h3-19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.498 kcal/mol

Physical Properties
Molecular Weight: 377.487 g/mol	logS: -6.94909	SlogP: 6.241	Reactive groups: 0

Topological Properties
Globularity: 0.504169	Sterimol/B1: 4.32976	Sterimol/B2: 5.16398	Sterimol/B3: 6.77811
Sterimol/B4: 7.09999	Sterimol/L: 14.0744

Surface and Volume Properties
Accessible surface: 617.314	Positive charged surface: 403.541	Negative charged surface: 213.773	Volume: 384.75
Hydrophobic surface: 617.314	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.