MMsINC Database Search


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MMsINC code: MMs01249367

Type: Neutral
Formula: C₂₇H₂₁NO

SMILES:

O=C(NC1c2c(-c3c1cccc3)cccc2)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H21NO/c29-27(25(19-11-3-1-4-12-19)20-13-5-2-6-14-20)28-26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18,25-26H,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.227 kcal/mol

Physical Properties
Molecular Weight: 375.471 g/mol	logS: -7.55162	SlogP: 5.8002	Reactive groups: 0

Topological Properties
Globularity: 0.115793	Sterimol/B1: 2.54828	Sterimol/B2: 3.62606	Sterimol/B3: 4.84127
Sterimol/B4: 10.2835	Sterimol/L: 15.0404

Surface and Volume Properties
Accessible surface: 652.175	Positive charged surface: 347.285	Negative charged surface: 294.318	Volume: 380.75
Hydrophobic surface: 633.757	Hydrophilic surface: 18.418

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.